SCHEMBL2550482

SCHEMBL2550482

CCCCCc1nc(C=O)c(CCCCC)n1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CXCL8 P10145 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL725696 0.74 SMN1; SMN2 (0.39) AGTR1SMN1; SMN2ATMTSHRLMNA
SCHEMBL726112 0.68 TSHR (0.52) AGTR1SMN1; SMN2ATMTSHRLMNA
SCHEMBL12468314 0.68 PARP1 (0.42) SMN1; SMN2LMNAHTTGPR84
SCHEMBL23043613 0.66 ALDH1A1 (0.52) SMN1; SMN2TSHRLMNAALDH1A1TP53
SCHEMBL726891 0.64 MEN1 (0.41) AGTR1SMN1; SMN2ATMTSHRLMNA
SCHEMBL7576296 0.62 HTT (0.53) AGTR1SMN1; SMN2ATMTSHRLMNA
SCHEMBL15294680 0.62 NOD1 (0.56) SMN1; SMN2TSHRLMNAALDH1A1TP53
SCHEMBL11850407 0.62 AGTR1 (0.53) AGTR1SMN1; SMN2ATMTSHRLMNA
SCHEMBL16111028 0.62 HTR6 (0.66) SMN1; SMN2TP53PSEN1PSEN2APH1B
Benzaldehyde SCHEMBL28129001 0.61 ALDH1A1 (0.67) LMNAALDH1A1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 AGTR1 2987/4885SMN1; SMN2 3816/4885ATM 1916/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.